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CBR-2092

CAT: 0931-T26963Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26963Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
922717-97-3
Target
DNA/RNA Synthesis, Others, Antibacterial, Antibiotic
Related Pathways
Cell Cycle/Checkpoint, DNA Damage/DNA Repair, Others, Microbiology/Virology
Bioactivity
CBR-2092 is a DNA-directed RNA polymerase and DNA topoisomerase inhibitor. CBR-2092 exhibited rifampin-like potency as an inhibitor of RNA polymerase, was an equipotent (balanced) inhibitor of DNA gyrase and DNA topoisomerase IV, and retained activity against a prevalent quinolone-resistant variant. Studies of mutant strains that exhibited reduced susceptibility to CBR-2092 further substantiated RNA polymerase as the primary cellular target of CBR-2092, with DNA gyrase and DNA topoisomerase IV being secondary and tertiary targets, respectively, in strains exhibiting preexisting rifampin resistance.
Smiles
CO[C@H]1\C=C/O[C@@]2(C)Oc3c(C2=O)c2c(O)c(C=NN4CCC(CC4)N(C)C4(CC4)[C@@H]4CCN(C4)c4c(F)cn5c(c4C)c(cc(C(O)=O)c5=O)C4CC4)c(NC(=O)\C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |c:3,66,68|
Molecular Formula
C65H81FN6O15
Molecular Weight
1205.388
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tnp-2092

TNP-2092 is under investigation in clinical trial NCT03964493 (TNP-2092 to Treat Acute Bacterial Skin and Skin Structure Infection).

CAS Number922717-97-3
PubChem CID145722022
IUPAC Name8-[(3R)-3-[1-[[1-[(E)-[(7S,9E,11S,12S,13S,14S,15R,16R,17S,18S,19E,21Z)-13-acetyloxy-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-26-yl]methylideneamino]piperidin-4-yl]-methylamino]cyclopropyl]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Molecular FormulaC65H81FN6O15
Molecular Weight1205.4
XLogP5.9
Topological Polar Surface Area281
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count20
Rotatable Bond Count11
Heavy Atom Count87
Formal Charge0
Complexity2960
SMILES
C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCC(CC5)N(C)C6(CC6)[C@@H]7CCN(C7)C8=C(C9=C(C=C(C(=O)N9C=C8F)C(=O)O)C1CC1)C)/C
InChI
InChI=1S/C65H81FN6O15/c1-31-13-12-14-32(2)61(80)68-50-44(56(77)47-48(57(50)78)55(76)37(7)59-49(47)60(79)64(9,87-59)85-26-20-46(84-11)33(3)58(86-38(8)73)36(6)54(75)35(5)53(31)74)28-67-71-24-18-41(19-25-71)69(10)65(21-22-65)40-17-23-70(29-40)52-34(4)51-42(39-15-16-39)27-43(63(82)83)62(81)72(51)30-45(52)66/h12-14,20,26-28,30-31,33,35-36,39-41,46,53-54,58,74-78H,15-19,21-25,29H2,1-11H3,(H,68,80)(H,82,83)/b13-12+,26-20+,32-14-,67-28+/t31-,33-,35+,36-,40+,46-,53-,54+,58+,64-/m0/s1
InChIKey
OPZFMLLAJBIKAN-YSBZUPOXSA-N
Chemical Structure
2D Structure
2D structure of Tnp-2092
CAS: 922717-97-3
CID: 145722022
Formula: C65H81FN6O15
MW: 1205.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1205.4
XLogP35.9
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count20
Rotatable Bond Count11
Exact Mass1204.57439406
Monoisotopic Mass1204.57439406
Topological Polar Surface Area281 Ų
Heavy Atom Count87
Formal Charge0
Complexity2960
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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